ex_protein_peptide_interface finds atomic contacts between a receptor and a peptide found in an input PDB file.

Its output provides: protein residue name and ID, protein chain ID, peptide protein name and ID, peptide chain ID, minimum distance between the residues, e.g.

ILE 36 A ARG 104 X 5.92977 LEU 44 A ARG 104 X 5.92685 LEU 44 A LEU 108 X 5.57779 GLU 45 A THR 102 X 6.81994

USAGE: ex_protein_peptide_interface 1dt7.pdb 7.0

where 1dt7.pdb id an input file and 7.0 - contact distance in Angstroms



  • core::data::structural::Structure